N-(5-amino-2-fluorophenyl)-4-(2-methoxyethoxy)benzamide

• ChemBase ID: 23311
• Molecular Formular: C16H17FN2O3
• Molecular Mass: 304.3161832
• Monoisotopic Mass: 304.12232063
• SMILES: C(=O)(Nc1cc(N)ccc1F)c1ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1F
• InChI: InChI=1S/C16H17FN2O3/c1-21-8-9-22-13-5-2-11(3-6-13)16(20)19-15-10-12(18)4-7-14(15)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
• InChIKey: JESGLVAVPMWRJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-fluorophenyl)-4-(2-methoxyethoxy)benzamide
• IUPAC Traditional name: N-(5-amino-2-fluorophenyl)-4-(2-methoxyethoxy)benzamide
• Synonyms: N-(5-Amino-2-fluorophenyl)-4-(2-methoxyethoxy)-benzamide

Database IDs

• MDL Number: MFCD09997426
• PubChem SID: 160986618
• PubChem CID: 28306760

CALCULATED PROPERTIES

• Acid pKa: 10.920723
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.170761
• LogD (pH = 7.4): 2.17409
• Log P: 2.17426
• Molar Refractivity: 84.015 cm^3
• Polarizability: 30.662151 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false